ethyl 1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylate CAS Name: 1-(4-chlorophenyl)-5-[(4-cyanoanilino)-oxomethyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylate Traditional Name: 1-(4-chlorophenyl)-5-[(4-cyanophenyl)carbamoyl]pyrazole-3-carboxylic acid ethyl ester Formula: C20H15ClN4O3 MolecularWeight: 394.8111

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H15ClN4O3/c1-2-28-20(27)17-11-18(25(24-17)16-9-5-14(21)6-10-16)19(26)23-15-7-3-13(12-22)4-8-15/h3-11H,2H2,1H3,(H,23,26)